BAS 12457950
TL;DR: BAS 12457950 (CAS 587005-18-3) is a chemical compound with molecular formula C20H26N6O2S and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxypropyl)-8-morpholin-4-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: BAS 12457950, BRD-K69137131-001-01-3, N-(3-methoxypropyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine, N-(3-methoxypropyl)-5-morpholino-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
| Molecular Formula | C20H26N6O2S |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 2.7983 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1838 |
| Heavy Atoms | 29 |
| Complexity | 1017.28296 |
Chemical Identifiers
| CAS Number | 587005-18-3 |
|---|---|
| SMILES | COCCCNC1=NN=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)N5CCOCC5 |
Product Overview
BAS 12457950 (CAS 587005-18-3), with molecular formula C20H26N6O2S and molecular weight 414.18 g/mol. IUPAC: N-(3-methoxypropyl)-8-morpholin-4-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of BAS 12457950
Property Insights of BAS 12457950
The XLogP value of 2.7983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12457950. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12457950. Following Lipinski's Rule of Five, BAS 12457950 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 12457950?
The CAS number of BAS 12457950 is 587005-18-3.
What is the molecular formula of BAS 12457950?
The molecular formula of BAS 12457950 is C20H26N6O2S.
What is the molecular weight of BAS 12457950?
The molecular weight of BAS 12457950 is 414.18 g/mol.
Where can I buy BAS 12457950?
You can request a quote for BAS 12457950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457950?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.